[
  {
    "molid": "mol12510",
    "smiles": "CC(=O)C(C)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@@H](C)[N+](=O)[O-]",
        "std_free_energy": -3.529390335083008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[C-](C)[N+](=O)[O-]",
        "std_free_energy": -7.341890811920166,
        "relative_population": 0.9996120908694256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.1500001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]